In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2006 | 30 | Yes |
Popular Name: 4-[5-(2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-8-ylsulfamoyl)indolin-1-yl]-4-oxo-butanoic 4-[5-(2,5-dioxabicyclo[4.4.0]dec…
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Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.72 | 6.19 | -53.87 | 1 | 9 | -1 | 125 | 431.446 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.72 | 6.21 | -98.06 | 0 | 9 | -2 | 127 | 430.438 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.72 | 4.22 | -18.31 | 2 | 9 | 0 | 122 | 432.454 | 6 | ↓ |